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Sugi Predict / Compounds / SCHEMBL2227709

SCHEMBL2227709

SCHEMBL2227709

N#Cc1nccnc1N1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1.O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 13/20 0.51
▸ F10 P00742 1/20 0.46
▸ HDAC4 P56524 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2223596 0.91 HDAC4 (0.52) STAT3HDAC4KDM4EHDAC6HDAC8
SCHEMBL2227977 0.88 STAT3 (0.60) STAT3F10HDAC4KDM4EHDAC6
SCHEMBL2227588 0.81 MEN1 (0.60) STAT3HDAC4KDM4EHDAC6HDAC8
SCHEMBL2226069 0.81 KDM4E (0.55) HDAC4KDM4EHDAC6HDAC8HDAC2
SCHEMBL2225493 0.79 STAT3 (0.60) STAT3HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227381 0.78 HDAC4 (0.67) HDAC4KDM4EHDAC6HDAC8CYP2C9
SCHEMBL2228781 0.77 HSD11B1 (0.63) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2223952 0.76 STAT3 (0.56) STAT3HDAC4KDM4EHDAC6HDAC8
SCHEMBL2226604 0.76 SLC6A7 (0.62) HDAC4KDM4EHDAC6HDAC8HDAC2
SCHEMBL2227789 0.75 HDAC4 (0.62) STAT3HDAC4KDM4EHDAC6HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — WO disclosed